Geometry & MOs

Info

ID:	175426
PubChem CID:	75903606
Reduced:	FSN2O2C20H28 (1)
Stoich.:	ABC2D2E20F28 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	6.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123635
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[(6-chloroquinoline-8-carbonyl)amino]-4-methylpentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)F)[NH+](C)C

DOS

IR

Vibrations