Geometry & MOs

Info

ID:	352268
PubChem CID:	127283352
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	386.104876
ΔH_f, kcal/mol:	-125.83
Dipole, Da:	5.35
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C2=CC3=C(C=C2C4(CCCC4)CN1C(=O)C5=CC=CN(C5=O)C)OCCO3

DOS

IR

Vibrations