Geometry & MOs

Info

ID:	217422
PubChem CID:	85087794
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	362.205301
ΔH_f, kcal/mol:	-24.09
Dipole, Da:	7.19
IP(EA), eV:	-8.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[[3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C(=O)O

DOS

IR

Vibrations