Geometry & MOs

Info

ID:	402859
PubChem CID:	135057584
Reduced:	BrNSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-165.11
Dipole, Da:	4.52
IP(EA), eV:	-10.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]pentanoate

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@H](COC(=O)N1S(=O)(=O)C2=CC=C(C=C2)C)Br

DOS

IR

Vibrations