Geometry & MOs

Info

ID:	336238
PubChem CID:	127255245
Reduced:	SN3O4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	374.070321
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	3.24
IP(EA), eV:	-8.12(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-chloro-4-(1,1-dioxothiazinan-2-yl)benzoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)C3=CSC(=N3)NC(=O)C4=CC(=O)C(=CO4)OC

DOS

IR

Vibrations