Geometry & MOs

Info

ID:	244598
PubChem CID:	99368159
Reduced:	SCl2O3N4C21H24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	482.094617
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	5.29
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(2S)-1-[[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)C(=O)CNC(=O)[C@@H](CCSC)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations