Geometry & MOs

Info

ID:	62126
PubChem CID:	26717679
Reduced:	ClSN2F3O4H20C21 (1)
Stoich.:	ABC2D3E4F20G21 (1)
Weight, g/mol:	413.04646
ΔH_f, kcal/mol:	-291.13
Dipole, Da:	3.25
IP(EA), eV:	-9.34(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations