Geometry & MOs

Info

ID:	32004
PubChem CID:	3897811
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	400.030082
ΔH_f, kcal/mol:	-120.16
Dipole, Da:	4.99
IP(EA), eV:	-8.57(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-3-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)C=C3C(=O)NC(=S)NC3=O

DOS

IR

Vibrations