Geometry & MOs

Info

ID:	27837
PubChem CID:	823810
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	304.02039
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	7.48
IP(EA), eV:	-9.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dichlorophenyl)carbamothioyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)N)COC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations