Geometry & MOs

Info

ID:	31883
PubChem CID:	3722564
Reduced:	O2S2N4H24C27 (1)
Stoich.:	A2B2C4D24E27 (1)
Weight, g/mol:	395.113565
ΔH_f, kcal/mol:	83.01
Dipole, Da:	4.53
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(C=CS5)N6C=CC=C6

DOS

IR

Vibrations