Geometry & MOs

Info

ID:	329602
PubChem CID:	126738937
Reduced:	BrO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	482.09535
ΔH_f, kcal/mol:	-63.85
Dipole, Da:	6.1
IP(EA), eV:	-9.43(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-3-[3-[(3-bromoquinoline-8-carbonyl)amino]pyridin-4-yl]-5-methylcyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C[C@H](C1)NC(=O)O)C2=C(C=NC=C2)NC(=O)C3=CC=CC4=CC(=CN=C43)Br

DOS

IR

Vibrations