Geometry & MOs

Info

ID:	62619
PubChem CID:	26725286
Reduced:	NSO7C25H27 (1)
Stoich.:	ABC7D25E27 (1)
Weight, g/mol:	460.130422
ΔH_f, kcal/mol:	-229.66
Dipole, Da:	1.49
IP(EA), eV:	-8.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-5-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)CC3=CC=CC=C3OC

DOS

IR

Vibrations