Geometry & MOs

Info

ID:	233178
PubChem CID:	87692854
Reduced:	S2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	493.104738
ΔH_f, kcal/mol:	-77.78
Dipole, Da:	6.56
IP(EA), eV:	-9.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-(trifluoromethyl)-1-[[2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-4-yl]methyl]indole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1(NC(CS1)(C)C2=CN=CS2)NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations