Geometry & MOs

Info

ID:	431960
PubChem CID:	135172088
Reduced:	NOSC7H13 (1)
Stoich.:	ABCD7E13 (1)
Weight, g/mol:	456.180682
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	1.85
IP(EA), eV:	-8.86(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[bis(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(SC1N)(C)C)O

DOS

IR

Vibrations