Geometry & MOs

Info

ID:	157562
PubChem CID:	56435701
Reduced:	O2N3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	445.176834
ΔH_f, kcal/mol:	-67.47
Dipole, Da:	6.8
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-methoxyethyl)-4-[[2-(3-methylbutanoylamino)-2-phenylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)C3CC4CCCCC4N3C(=O)C5=CC=CC=C5

DOS

IR

Vibrations