Geometry & MOs

Info

ID:	402437
PubChem CID:	135055952
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-1-(4-methylphenyl)-2-nitro-3-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C(CO2)(C)C)C=C(C)C

DOS

IR

Vibrations