Geometry & MOs

Info

ID:	391356
PubChem CID:	135004475
Reduced:	ClNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	548.228677
ΔH_f, kcal/mol:	-105.79
Dipole, Da:	7.92
IP(EA), eV:	-9.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4,5-dimethyl-2-[[2-naphthalen-2-yl-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@H](/C=C/C1=CC=C(C=C1)Cl)C(=O)O

DOS

IR

Vibrations