Geometry & MOs

Info

ID:	148677
PubChem CID:	53788345
Reduced:	S2N3O7H21C22 (1)
Stoich.:	A2B3C7D21E22 (1)
Weight, g/mol:	503.082092
ΔH_f, kcal/mol:	-165.06
Dipole, Da:	6.4
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(hydroxycarbamoyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl] N-phenylcarbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C([C@@H]([C@@H]2C(=O)NO)OC(=O)NC4=CC=CC=C4)SC=C3

DOS

IR

Vibrations