Geometry & MOs

Info

ID:	168626
PubChem CID:	74997154
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-97.14
Dipole, Da:	6.28
IP(EA), eV:	-8.23(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-benzyl-5-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]pent-2-enoate

Drug info:

PubChemData

Smile

CC(=CCN1CCN(CC1)CC2C3COC4=CC(=C(C=C4C3=NO2)OC)OC)C5=CC=C(C=C5)O

DOS

IR

Vibrations