Geometry & MOs

Info

ID:	148646
PubChem CID:	53788314
Reduced:	Cl2N5O6H31C33 (1)
Stoich.:	A2B5C6D31E33 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-156.55
Dipole, Da:	6.43
IP(EA), eV:	-8.64(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(3-methoxyphenyl)prop-2-enoylamino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)NC1=NC=C(C=C1)C=CC(=O)NCC(=O)N(C)C2=C(C(=C(C=C2)Cl)COC3=CC=CC4=C3N=C(C=C4)C)Cl

DOS

IR

Vibrations