Geometry & MOs

Info

ID:	79454
PubChem CID:	49754927
Reduced:	N4O5C26H30 (1)
Stoich.:	A4B5C26D30 (1)
Weight, g/mol:	582.160677
ΔH_f, kcal/mol:	-178.07
Dipole, Da:	2.38
IP(EA), eV:	-8.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[[[2-oxo-2-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)amino]acetyl]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)C(=O)OC3=CC=CC=C3)N4CCCC4=O

DOS

IR

Vibrations