Geometry & MOs

Info

ID:	62886
PubChem CID:	26737422
Reduced:	N3O7C25H25 (1)
Stoich.:	A3B7C25D25 (1)
Weight, g/mol:	435.112701
ΔH_f, kcal/mol:	-137.61
Dipole, Da:	8.78
IP(EA), eV:	-8.18(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OCC

DOS

IR

Vibrations