Geometry & MOs

Info

ID:	69150
PubChem CID:	46525578
Reduced:	N2O2F3H11C17 (1)
Stoich.:	A2B2C3D11E17 (1)
Weight, g/mol:	458.141262
ΔH_f, kcal/mol:	-191.93
Dipole, Da:	10.64
IP(EA), eV:	-9.21(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3,4-dihydro-2H-chromene-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)N2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations