Geometry & MOs

Info

ID:	187952
PubChem CID:	77647194
Reduced:	ClSN4O4C28H45 (1)
Stoich.:	ABC4D4E28F45 (1)
Weight, g/mol:	539.28964
ΔH_f, kcal/mol:	-200.28
Dipole, Da:	4.2
IP(EA), eV:	-8.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylamino)-N-[3-hydroxy-4-(1H-indol-5-ylmethylamino)-1-phenylbutan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCCCCNCC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N3CCCCS3(O)O)NCC)O.Cl

DOS

IR

Vibrations