Geometry & MOs

Info

ID:	135243
PubChem CID:	51838714
Reduced:	NO2C15H18 (2)
Stoich.:	AB2C15D18 (2)
Weight, g/mol:	488.267508
ΔH_f, kcal/mol:	-131.09
Dipole, Da:	7.9
IP(EA), eV:	-8.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@@H](C2=CC=C(C=C2)O)C(=O)NC3CCCCC3)C(=O)C[C@H](C)C4=CC=CC=C4

DOS

IR

Vibrations