Geometry & MOs

Info

ID:	163478
PubChem CID:	58002082
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	472.239579
ΔH_f, kcal/mol:	-123.97
Dipole, Da:	6.51
IP(EA), eV:	-9.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]methyl]cyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)C2=CN=CC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations