Geometry & MOs

Info

ID:	261989
PubChem CID:	103264812
Reduced:	NO2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	219.104148
ΔH_f, kcal/mol:	-74.93
Dipole, Da:	2.94
IP(EA), eV:	-9.32(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[(1-oxothian-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1(CCC1)NC(C2CC2)C(=O)OC

DOS

IR

Vibrations