Geometry & MOs

Info

ID:	160195
PubChem CID:	57304980
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	746.184495
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	1.27
IP(EA), eV:	-8.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-carbamimidoylbenzoyl)pyrrol-2-yl]ethyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C(C)N=O

DOS

IR

Vibrations