Geometry & MOs

Info

ID:	233490
PubChem CID:	90944856
Reduced:	ClN2O3H25C28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-51.78
Dipole, Da:	2.62
IP(EA), eV:	-8.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethenyl (2S)-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1(CC2=NC3=CC=CC=C3NC(C2C(=O)C1)C4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations