Geometry & MOs

Info

ID:	135276
PubChem CID:	51845462
Reduced:	N2O3C31H36 (1)
Stoich.:	A2B3C31D36 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-83.46
Dipole, Da:	3.18
IP(EA), eV:	-9.11(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-2-(butylamino)-1-(2-hydroxyphenyl)-2-oxoethyl]-2-methoxy-N,2-diphenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(C3=CC=CC=C3)C(=O)[C@H](C4=CC=CC=C4)OC)C

DOS

IR

Vibrations