Geometry & MOs

Info

ID:	62050
PubChem CID:	26717275
Reduced:	BrFSN2O4H18C21 (1)
Stoich.:	ABCD2E4F18G21 (1)
Weight, g/mol:	395.140055
ΔH_f, kcal/mol:	-137.03
Dipole, Da:	6.11
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations