Geometry & MOs

Info

ID:	208845
PubChem CID:	80593251
Reduced:	ClOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	290.145285
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	3.33
IP(EA), eV:	-8.87(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-3-methyl-N-(3-propan-2-ylphenyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2(CC2)C(=S)N)Cl

DOS

IR

Vibrations