Geometry & MOs

Info

ID:	65055
PubChem CID:	29204407
Reduced:	ClION3H17C19 (1)
Stoich.:	ABCD3E17F19 (1)
Weight, g/mol:	442.98006
ΔH_f, kcal/mol:	40.84
Dipole, Da:	6.69
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-carbamoylthiophen-2-yl)-N-(4-iodophenyl)butanediamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)I)Cl

DOS

IR

Vibrations