Geometry & MOs

Info

ID:	184915
PubChem CID:	77228934
Reduced:	O2S3N5C17H21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	508.151348
ΔH_f, kcal/mol:	10.79
Dipole, Da:	2.08
IP(EA), eV:	-9.12(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[(2-chlorophenyl)methyl]-4-hydroxy-5-methyl-2-oxopyridin-3-yl]carbamoylamino]-3-(1-methylindol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1C(C(NN1)N)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)NCCC4=CC=CS4

DOS

IR

Vibrations