Geometry & MOs

Info

ID:	169631
PubChem CID:	75128504
Reduced:	SN2O6H22C26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-141.21
Dipole, Da:	5.89
IP(EA), eV:	-8.73(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-[3-(3-methoxyphenyl)prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=O)S3)CCNC(=O)CCC4=CC=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations