Geometry & MOs

Info

ID:	62402
PubChem CID:	26719680
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-97.72
Dipole, Da:	4.93
IP(EA), eV:	-8.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CCNC(=O)CCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations