Geometry & MOs

Info

ID:	431605
PubChem CID:	135171693
Reduced:	NPO7C20H28 (1)
Stoich.:	ABC7D20E28 (1)
Weight, g/mol:	528.238197
ΔH_f, kcal/mol:	-361.07
Dipole, Da:	2.63
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=C2C(=C1)C(=CN2CC(=O)OC(C)(C)C)C(=O)C)O)OCC

DOS

IR

Vibrations