Geometry & MOs

Info

ID:	307717
PubChem CID:	125308562
Reduced:	O2N7C20H23 (1)
Stoich.:	A2B7C20D23 (1)
Weight, g/mol:	420.132136
ΔH_f, kcal/mol:	31.36
Dipole, Da:	6.87
IP(EA), eV:	-9.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]-3-(2H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(=NCCC2=NC=NC2)NC(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations