Geometry & MOs

Info

ID:	351135
PubChem CID:	127279693
Reduced:	N2O2S2C19H20 (1)
Stoich.:	A2B2C2D19E20 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-29.28
Dipole, Da:	3.45
IP(EA), eV:	-8.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC4=C(S3)CCOC4)C#N

DOS

IR

Vibrations