Geometry & MOs

Info

ID:	133954
PubChem CID:	51619813
Reduced:	OSN5C24H34 (1)
Stoich.:	ABC5D24E34 (1)
Weight, g/mol:	368.218546
ΔH_f, kcal/mol:	30.1
Dipole, Da:	8.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984451
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-(2,4-dimethoxyanilino)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)CN2CC[NH+](CC2)CC3=CSC=C3)C4CCCCC4)C

DOS

IR

Vibrations