Geometry & MOs

Info

ID:	134736
PubChem CID:	51747936
Reduced:	N2S2O5C23H32 (1)
Stoich.:	A2B2C5D23E32 (1)
Weight, g/mol:	501.299142
ΔH_f, kcal/mol:	-182.55
Dipole, Da:	7.29
IP(EA), eV:	-9.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1R)-2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylbutanamide

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(CC2=CC=CO2)C(=O)CCS

DOS

IR

Vibrations