Geometry & MOs

Info

ID:	16755
PubChem CID:	476383
Reduced:	NSO3C16H20 (2)
Stoich.:	ABC3D16E20 (2)
Weight, g/mol:	612.232779
ΔH_f, kcal/mol:	-214.33
Dipole, Da:	2.18
IP(EA), eV:	-8.84(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2S)-4-methyl-2-[[2-[[2-[[(2S)-4-methyl-1-oxo-1-prop-2-enoxypentan-2-yl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]pentanoate

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

CC(C)C[C@@H](C(=O)OCC=C)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)N[C@@H](CC(C)C)C(=O)OCC=C

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

CC(C)C[C@@H](C(=O)OCC=C)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)N[C@@H](CC(C)C)C(=O)OCC=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):