Geometry & MOs

Info

ID:	228242
PubChem CID:	87563727
Reduced:	ON2H12C13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	22.34
Dipole, Da:	5.71
IP(EA), eV:	-8.03(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

CCN(C1=CNC2=CC=CC=C21)C(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

DOS

IR

Vibrations