Geometry & MOs

Info

ID:	228225
PubChem CID:	87563697
Reduced:	ClOSN4C16H19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	-13.1
Dipole, Da:	11.77
IP(EA), eV:	-8.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)carbamothioyl]-4-(dimethylamino)benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N.Cl

DOS

IR

Vibrations