Geometry & MOs

Info

ID:	324418
PubChem CID:	126677633
Reduced:	NSO4C14H25 (1)
Stoich.:	ABC4D14E25 (1)
Weight, g/mol:	651.210664
ΔH_f, kcal/mol:	-201.23
Dipole, Da:	0.87
IP(EA), eV:	-9.23(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S,6R,9S,15E,20R)-6-butan-2-yl-20-(2-methylsulfanylethyl)-3,8,18,21-tetraoxo-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-en-5-yl] benzoate

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)OC)NC(=O)CC(/C=C/CCS)O

DOS

IR

Vibrations