Geometry & MOs

Info

ID:	36977
PubChem CID:	8015578
Reduced:	NSO6H14C15 (1)
Stoich.:	ABC6D14E15 (1)
Weight, g/mol:	417.135842
ΔH_f, kcal/mol:	-125.87
Dipole, Da:	20.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.884165
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])OC

DOS

IR

Vibrations