Geometry & MOs

Info

ID:	123101
PubChem CID:	50833097
Reduced:	SO3N5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	490.22162
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	3.86
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[3-[3-(cyclopentylamino)-3-oxopropyl]-2-oxoquinoxalin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC3=C(S2)C(=O)N(C(=O)N3CC(=O)NCC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations