Geometry & MOs

Info

ID:	426696
PubChem CID:	135153406
Reduced:	F2S2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	515.217796
ΔH_f, kcal/mol:	-20.59
Dipole, Da:	7.38
IP(EA), eV:	-8.78(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-methoxy-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)C2=C(N=NS2)C(F)F)C

DOS

IR

Vibrations