Geometry & MOs

Info

ID:	12692
PubChem CID:	143939
Reduced:	N2O3C18H20 (2)
Stoich.:	A2B3C18D20 (2)
Weight, g/mol:	624.294785
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	3.29
IP(EA), eV:	-7.91(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[7,18-bis(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)CCC(=O)OC)C

DOS

IR

Vibrations