Geometry & MOs

Info

ID:	361480
PubChem CID:	127303613
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	374.15902
ΔH_f, kcal/mol:	-135.1
Dipole, Da:	3.68
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C(=O)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations