Geometry & MOs

Info

ID:	151996
PubChem CID:	56310833
Reduced:	SN2O2C10H13 (2)
Stoich.:	AB2C2D10E13 (2)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	5.09
IP(EA), eV:	-8.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1CCCN(C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations