Geometry & MOs

Info

ID:	445390
PubChem CID:	135266753
Reduced:	OSN6C24H26 (1)
Stoich.:	ABC6D24E26 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	89.7
Dipole, Da:	3.12
IP(EA), eV:	-8.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(6-cyanobenzimidazol-1-yl)methyl]cyclohexyl]methyl-[(3-methylpyrrolidin-3-yl)methyl]carbamic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)SC)C2=CC=CC3=CN=C(N=C32)NC4=CN(N=C4)C5CCNCC5

DOS

IR

Vibrations