Geometry & MOs

Info

ID:	123644
PubChem CID:	50857592
Reduced:	SO2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	-4.91
Dipole, Da:	7.87
IP(EA), eV:	-8.39(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=C(C=C2)OC)/C=C\3/C(=O)NC(=S)N3

DOS

IR

Vibrations