Geometry & MOs

Info

ID:	122718
PubChem CID:	50818560
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	436.130218
ΔH_f, kcal/mol:	-31.17
Dipole, Da:	3.4
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[N-(4-chlorobenzoyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=NCC2=CN=CC=C2)NC(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations