Geometry & MOs

Info

ID:	366400
PubChem CID:	127319881
Reduced:	SN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	332.148455
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	5.82
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3CCN(C3)C(=O)N

DOS

IR

Vibrations