Geometry & MOs

Info

ID:	426340
PubChem CID:	135143528
Reduced:	ClSN2O2C9H13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	575.106389
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	2.1
IP(EA), eV:	-8.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[5-chloro-4-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl]methyl]thiophen-2-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)C1=C(N=CC=C1)Cl)O

DOS

IR

Vibrations