Geometry & MOs

Info

ID:	219277
PubChem CID:	85098399
Reduced:	IS3N5O5C23H36 (1)
Stoich.:	AB3C5D5E23F36 (1)
Weight, g/mol:	688.256685
ΔH_f, kcal/mol:	-173.95
Dipole, Da:	30.35
IP(EA), eV:	-6.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[1-[2-methoxycarbonyl-4-(4-phenylphenoxy)pyrrolidin-1-yl]-1-oxooctan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCC[S+](C)C)NC(=O)OC(C)(C)C)O.[I-]

DOS

IR

Vibrations