Geometry & MOs

Info

ID:	431778
PubChem CID:	135171884
Reduced:	FN2O3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	474.208092
ΔH_f, kcal/mol:	-198.73
Dipole, Da:	3.85
IP(EA), eV:	-8.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-chloro-1,2,4-thiadiazol-5-yl)-1-N-cyclohexyl-1-N-(2-methylpropyl)-4-[(2R)-1-(2H-tetrazol-5-yl)propan-2-yl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C(=C1)F)N(CC(C)C)C2CCOCC2)N

DOS

IR

Vibrations