Geometry & MOs

Info

ID:	316147
PubChem CID:	126630208
Reduced:	O7C20H22 (1)
Stoich.:	A7B20C22 (1)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-262.91
Dipole, Da:	3.83
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2,2-dimethyl-3-(3-methylbut-2-enimidoyloxy)propanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC2C(COC2=O)C(C3=CC(=C(C=C3)O)CO)O)O

DOS

IR

Vibrations