Geometry & MOs

Info

ID:	430939
PubChem CID:	135171009
Reduced:	SO2N3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	423.234434
ΔH_f, kcal/mol:	0.96
Dipole, Da:	4.8
IP(EA), eV:	-8.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)S(=O)C)C(=O)C3=C/C(=C/C=C)/C(=C)N3

DOS

IR

Vibrations