Geometry & MOs

Info

ID:	43959
PubChem CID:	10322433
Reduced:	NSO2F6H13C22 (1)
Stoich.:	ABC2D6E13F22 (1)
Weight, g/mol:	360.184464
ΔH_f, kcal/mol:	-308.7
Dipole, Da:	4.42
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[2-[[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]methylsulfanyl]ethyl]-1-methyl-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2NC(=O)C3=CC4=CC=CC=C4S3)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations