Geometry & MOs

Info

ID:	218154
PubChem CID:	85088958
Reduced:	O7C24H34 (1)
Stoich.:	A7B24C34 (1)
Weight, g/mol:	434.241687
ΔH_f, kcal/mol:	-328.75
Dipole, Da:	6.12
IP(EA), eV:	-9.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[3-(2-hydroxy-4-methoxyphenyl)prop-2-enoylamino]-4-methylpentanoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC12CC(C3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC(C5)O)CO)O)O

DOS

IR

Vibrations