Geometry & MOs

Info

ID:	178044
PubChem CID:	76268458
Reduced:	O5N6C23H36 (1)
Stoich.:	A5B6C23D36 (1)
Weight, g/mol:	480.16787
ΔH_f, kcal/mol:	-216.65
Dipole, Da:	10.83
IP(EA), eV:	-8.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-morpholin-4-ylsulfonyl-N-[(4-nitrophenyl)methyl]-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)C)NCC(=O)N(CCOC)C2C(N(C(=O)NC2=O)CC(C)C)N

DOS

IR

Vibrations