Geometry & MOs

Info

ID:	203322
PubChem CID:	79812722
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	312.12407
ΔH_f, kcal/mol:	-126.11
Dipole, Da:	6.08
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NCC1=CSC(=N1)N(CC)C(=O)C

DOS

IR

Vibrations