Geometry & MOs

Info

ID:	39863
PubChem CID:	8142590
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	383.244701
ΔH_f, kcal/mol:	31.47
Dipole, Da:	2.53
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)CC2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations