Geometry & MOs

Info

ID:	35256
PubChem CID:	7979592
Reduced:	S2N3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	376.049585
ΔH_f, kcal/mol:	-126.75
Dipole, Da:	7.33
IP(EA), eV:	-9.09(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations