Geometry & MOs

Info

ID:	224341
PubChem CID:	85341894
Reduced:	NVO4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	352.163436
ΔH_f, kcal/mol:	-171.27
Dipole, Da:	7.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793455
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

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CCO.C1=CC=C(C=C1)C(CO)NC=C2C=CC=CC2=O.O=[V]

DOS

IR

Vibrations