Geometry & MOs

Info

ID:	217616
PubChem CID:	85088108
Reduced:	PN2O5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	382.174001
ΔH_f, kcal/mol:	-184.95
Dipole, Da:	5.23
IP(EA), eV:	-9.57(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CP(=O)(CC2CNC(CO2)C3=CC(=CC=C3)[N+](=O)[O-])O

DOS

IR

Vibrations