Geometry & MOs

Info

ID:	342936
PubChem CID:	127266099
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	332.194737
ΔH_f, kcal/mol:	-192.05
Dipole, Da:	4.39
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-4-(3-ethoxypropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1CCC(CN1C(=O)C2=CC(=O)N(C=C2)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations