Geometry & MOs

Info

ID:	186013
PubChem CID:	77378960
Reduced:	ClN3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	527.113852
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	1.65
IP(EA), eV:	-8.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloro-3-fluorophenyl)methylcarbamoyl-methylamino]-4,5-dihydroxypentyl] N-(6-chloro-1H-benzimidazol-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)CC(COC(=O)NC1=CC2=CC=CC=C2C=C1)N(C)C(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations