Geometry & MOs

Info

ID:	134706
PubChem CID:	51742128
Reduced:	N3O6C26H29 (1)
Stoich.:	A3B6C26D29 (1)
Weight, g/mol:	438.288243
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	8.44
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])N(CC2=CC=CO2)C(=O)[C@H](C3=CC=CC=C3)OC

DOS

IR

Vibrations