Geometry & MOs

Info

ID:	135242
PubChem CID:	51838713
Reduced:	NO2C15H18 (2)
Stoich.:	AB2C15D18 (2)
Weight, g/mol:	488.267508
ΔH_f, kcal/mol:	-131.64
Dipole, Da:	6.62
IP(EA), eV:	-8.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S)-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