Geometry & MOs

Info

ID:	195477
PubChem CID:	78691262
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	393.031683
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	3.66
IP(EA), eV:	-9.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(carbamoylamino)-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CNC(=O)CN(C)C(=O)CN1C(=O)C(NC1=O)(CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations