Geometry & MOs

Info

ID:	62612
PubChem CID:	26725277
Reduced:	NSO6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	488.107579
ΔH_f, kcal/mol:	-221.77
Dipole, Da:	2.31
IP(EA), eV:	-8.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-methylsulfanylpyridine-3-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)C3CCCC3

DOS

IR

Vibrations