Geometry & MOs

Info

ID:	187326
PubChem CID:	77559412
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	643.1425
ΔH_f, kcal/mol:	-199.6
Dipole, Da:	7.09
IP(EA), eV:	-9.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(3-chlorophenyl)sulfonyl-(1,1-dioxo-1,4-thiazinane-3-carbonyl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=CC=C(C=C1)C(CCO)NC(=O)O

DOS

IR

Vibrations