Geometry & MOs

Info

ID:	135319
PubChem CID:	51850810
Reduced:	Cl2N2O2C29H38 (1)
Stoich.:	A2B2C2D29E38 (1)
Weight, g/mol:	474.251858
ΔH_f, kcal/mol:	-96.24
Dipole, Da:	5.55
IP(EA), eV:	-9.36(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-phenylpropanamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C1=CC=CC=C1)C(=O)CC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations