Geometry & MOs

Info

ID:	276770
PubChem CID:	103825121
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	392.0233
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	3.75
IP(EA), eV:	-8.46(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-2-iodo-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)NCC(C)(C)CCO

DOS

IR

Vibrations