Geometry & MOs

Info

ID:	431824
PubChem CID:	135171930
Reduced:	NC16H31 (1)
Stoich.:	AB16C31 (1)
Weight, g/mol:	476.187357
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	1.21
IP(EA), eV:	-8.15(2.84)
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-(2-methylpropyl)-1-N-(oxan-4-yl)-4-[(2R)-1-(2H-tetrazol-5-yl)propan-2-yl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCC1CCC1N(CC(C)C)C2CCCCC2

DOS

IR

Vibrations