Geometry & MOs

Info

ID:	395664
PubChem CID:	135026184
Reduced:	ClO2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	400.06338
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	2.05
IP(EA), eV:	-9.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(1S,2S)-2-bromo-1-(phenylmethoxycarbonylamino)propyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=CC=C1C(=CC2=CC=CC=C2)Cl

DOS

IR

Vibrations