Geometry & MOs

Info

ID:	121869
PubChem CID:	50784636
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	429.135842
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	8.41
IP(EA), eV:	-8.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(O2)C3=NNC(=C3C)C)C

DOS

IR

Vibrations