Geometry & MOs

Info

ID:	238012
PubChem CID:	92728796
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	494.187543
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	6.4
IP(EA), eV:	-9.39(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(3S)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-propoxy-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations