Geometry & MOs

Info

ID:	29454
PubChem CID:	833902
Reduced:	FOSN2H13C18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	-8.19
Dipole, Da:	3.09
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=CC=CC=C3F

DOS

IR

Vibrations