Geometry & MOs

Info

ID:	30617
PubChem CID:	841577
Reduced:	FO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-50.2
Dipole, Da:	2.01
IP(EA), eV:	-9.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)C2=CC=C(O2)CN3C(=CC(=N3)C)C

DOS

IR

Vibrations