Geometry & MOs

Info

ID:	440341
PubChem CID:	135230291
Reduced:	ClSN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	474.135321
ΔH_f, kcal/mol:	172.73
Dipole, Da:	5.12
IP(EA), eV:	-9.38(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=CC=C3Cl)N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations