Geometry & MOs

Info

ID:	120968
PubChem CID:	50751955
Reduced:	SN4O4C24H24 (1)
Stoich.:	AB4C4D24E24 (1)
Weight, g/mol:	456.192818
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	5.93
IP(EA), eV:	-8.19(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]-2-ethylbutanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3OC)N=C1CCNC(=O)C4=CC=CS4

DOS

IR

Vibrations