Geometry & MOs

Info

ID:	394010
PubChem CID:	135022166
Reduced:	NSO7C29H37 (1)
Stoich.:	ABC7D29E37 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-272.57
Dipole, Da:	2.86
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S,3S)-3-(2-hydroxypropan-2-yl)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)[C@@H]([C@H]3C(C)C)C(=O)OC)CCCCCC=CCOC(=O)C

DOS

IR

Vibrations