Geometry & MOs

Info

ID:	261184
PubChem CID:	103221584
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	450.90614
ΔH_f, kcal/mol:	-31.53
Dipole, Da:	4.62
IP(EA), eV:	-9.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-iodo-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CCN1C(=O)C=C(C=N1)NCC(C)C

DOS

IR

Vibrations