Geometry & MOs

Info

ID:	68481
PubChem CID:	46508501
Reduced:	S2N3O4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	6.63
IP(EA), eV:	-9.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenoxyanilino)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations