Geometry & MOs

Info

ID:	440254
PubChem CID:	135230185
Reduced:	OS2N15H31C34 (1)
Stoich.:	AB2C15D31E34 (1)
Weight, g/mol:	380.116778
ΔH_f, kcal/mol:	293.67
Dipole, Da:	10.12
IP(EA), eV:	-9.03(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)N(C1=CC2=C(C=C1)N=C(N2C3=NN=NN3C)SCC4=NC=CC(=C4)C)C5=CC=CC(=N5)CSC6=NC7=CC=CC=C7N6C8=NN=NN8C

DOS

IR

Vibrations