Geometry & MOs

Info

ID:	37257
PubChem CID:	8018821
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-140.34
Dipole, Da:	2.04
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

COCCNC(=O)COC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31

DOS

IR

Vibrations