Geometry & MOs

Info

ID:	217332
PubChem CID:	85087632
Reduced:	SN3O4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	353.246713
ΔH_f, kcal/mol:	-105.92
Dipole, Da:	11.53
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-phenylpropyl)-3-[2,6-di(propan-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCS

DOS

IR

Vibrations