Geometry & MOs

Info

ID:	245391
PubChem CID:	99444238
Reduced:	FSN2O4C25H25 (1)
Stoich.:	ABC2D4E25F25 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-149.5
Dipole, Da:	8.87
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations