Geometry & MOs

Info

ID:	46701
PubChem CID:	10526414
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	1.71
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)CC(=O)NC3=NC=CS3)C

DOS

IR

Vibrations