Geometry & MOs

Info

ID:	430938
PubChem CID:	135171008
Reduced:	BrNOC7H12 (1)
Stoich.:	ABCD7E12 (1)
Weight, g/mol:	439.229348
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	2.12
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-N-ethyl-5-methylidene-N-[(1S,3R)-3-[(4-methylsulfinylphenyl)methylamino]cyclohexyl]-4-prop-2-enylidene-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1C=C(ON1)CBr

DOS

IR

Vibrations