Geometry & MOs

Info

ID:	62124
PubChem CID:	26717669
Reduced:	ClNSF4O4H16C19 (1)
Stoich.:	ABCD4E4F16G19 (1)
Weight, g/mol:	413.04646
ΔH_f, kcal/mol:	-329.18
Dipole, Da:	4.53
IP(EA), eV:	-9.67(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OC2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations