Geometry & MOs

Info

ID:	262419
PubChem CID:	103292500
Reduced:	ClSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	300.069927
ΔH_f, kcal/mol:	-78.51
Dipole, Da:	4.22
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbamothioyl-N-[(2-chloro-6-methoxyphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC(=O)[C@H](CCSC)N

DOS

IR

Vibrations