Geometry & MOs

Info

ID:	122708
PubChem CID:	50818070
Reduced:	ClN4O4C25H27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	1.32
IP(EA), eV:	-9.12(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[N-phenyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCC1=NOC(=N1)C2=CC=C(C=C2)C(=O)N3CCCC3)OC4=CC(=CC=C4)Cl

DOS

IR

Vibrations