Geometry & MOs

Info

ID:	66124
PubChem CID:	46499882
Reduced:	NSO3C24H25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	444.159769
ΔH_f, kcal/mol:	-58.29
Dipole, Da:	4.81
IP(EA), eV:	-8.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)OC5CSC5

DOS

IR

Vibrations