Geometry & MOs

Info

ID:	244597
PubChem CID:	99368125
Reduced:	ClSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	482.094617
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	0.45
IP(EA), eV:	-9.39(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)NCC(=O)N(C)CC3=CN=CC=C3

DOS

IR

Vibrations