Geometry & MOs

Info

ID:	195472
PubChem CID:	78690328
Reduced:	ClFSN2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	331.031289
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	3.02
IP(EA), eV:	-8.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dichlorophenyl)carbamothioyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=S)NC(C)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations