Geometry & MOs

Info

ID:	190983
PubChem CID:	78090132
Reduced:	N2O5C29H30 (1)
Stoich.:	A2B5C29D30 (1)
Weight, g/mol:	502.231516
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	4.3
IP(EA), eV:	-8.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-methoxy-7-methyl-4-[4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]oxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)OCCN2C=CC3=C2C=CC(=C3)C(=NOC4=CC=CC=C4)C)C(=O)O

DOS

IR

Vibrations