Geometry & MOs

Info

ID:	336127
PubChem CID:	127255134
Reduced:	SO3N4H16C21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	399.133139
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	1.3
IP(EA), eV:	-8.99(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,12,16-hexaen-9-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations