Geometry & MOs

Info

ID:	157581
PubChem CID:	56435846
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-38.83
Dipole, Da:	4.21
IP(EA), eV:	-8.95(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(3-methylbutanoylamino)-2-phenylacetyl]amino]-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC=CC(=C2)CNC(=O)C(C3=CC=CC=C3)NC(=O)CC(C)C)C

DOS

IR

Vibrations