Geometry & MOs

Info

ID:	134866
PubChem CID:	51771061
Reduced:	ClSN2O4C25H33 (1)
Stoich.:	ABC2D4E25F33 (1)
Weight, g/mol:	420.277678
ΔH_f, kcal/mol:	-163.33
Dipole, Da:	7.65
IP(EA), eV:	-9.42(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-N-cyclohexyl-2-[methyl-[(2R)-2-phenylbutanoyl]amino]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations