Geometry & MOs

Info

ID:	167612
PubChem CID:	74847084
Reduced:	ClO3N4H21C27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	472.182064
ΔH_f, kcal/mol:	0.93
Dipole, Da:	6.35
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]-N-(4-phenylphenyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C(=O)N(N2)C3=CC=CC=C3)C=C4C(=O)N(C(=O)N4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations