Geometry & MOs

Info

ID:	431818
PubChem CID:	135171924
Reduced:	INC23H42 (1)
Stoich.:	ABC23D42 (1)
Weight, g/mol:	513.213379
ΔH_f, kcal/mol:	-39.32
Dipole, Da:	3.88
IP(EA), eV:	-8.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[5-azidopentyl(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1(CCCCCCC2C3CCCCCCCC3N(C2CCC1)C)I

DOS

IR

Vibrations