Geometry & MOs

Info

ID:	351129
PubChem CID:	127279687
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-104.61
Dipole, Da:	4.87
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)C3=CC4=C(S3)CCOC4)(C)C

DOS

IR

Vibrations