Geometry & MOs

Info

ID:	146437
PubChem CID:	53688841
Reduced:	NOSC9H9 (1)
Stoich.:	ABCD9E9 (1)
Weight, g/mol:	379.210721
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	3.8
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2SNC1=O

DOS

IR

Vibrations