Geometry & MOs

Info

ID:	147492
PubChem CID:	53787148
Reduced:	O3C20H38 (1)
Stoich.:	A3B20C38 (1)
Weight, g/mol:	667.150362
ΔH_f, kcal/mol:	-225.4
Dipole, Da:	2.19
IP(EA), eV:	-10.21(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl)methyl 2-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-4-oxoazetidin-1-yl]-3-methylbut-2-enoate

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

CCCCCCCC[C@@H]1[C@H](CC[C@H]1O)CCCCCCC(=O)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

CCCCCCCC[C@@H]1[C@H](CC[C@H]1O)CCCCCCC(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):