Geometry & MOs

Info

ID:	61803
PubChem CID:	26713290
Reduced:	SN2O4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	421.155705
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	8.79
IP(EA), eV:	-9.22(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations