Geometry & MOs

Info

ID:	195684
PubChem CID:	78723267
Reduced:	SN3O4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-146.71
Dipole, Da:	4.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754849
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-methylamino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC(=O)N(C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations