Geometry & MOs

Info

ID:	194495
PubChem CID:	78545356
Reduced:	ClON2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	26.86
Dipole, Da:	4.67
IP(EA), eV:	-9.08(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butan-2-ylamino)-2-oxoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CC=C2)Cl)C

DOS

IR

Vibrations