Geometry & MOs

Info

ID:	177847
PubChem CID:	76241290
Reduced:	SN3O3H25C26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	3.25
IP(EA), eV:	-8.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)NC(=O)C=CC3=CC=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations