Geometry & MOs

Info

ID:	149632
PubChem CID:	53789306
Reduced:	N3O4C25H49 (1)
Stoich.:	A3B4C25D49 (1)
Weight, g/mol:	726.202936
ΔH_f, kcal/mol:	-285.98
Dipole, Da:	4.36
IP(EA), eV:	-9.57(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[1-(2-methoxy-2-oxoethyl)-4-oxo-3-[3-[(2-phenoxyacetyl)amino]prop-1-enyl]azetidin-2-yl]disulfanyl]-4-oxo-3-[3-[(2-phenoxyacetyl)amino]prop-1-enyl]azetidin-1-yl]acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCCC[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)C(C(C)C)NC(=O)CC)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCCC[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)C(C(C)C)NC(=O)CC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):