Geometry & MOs

Info

ID:

310706

PubChem CID:

126584435

Reduced:

N2O2C12H19 (2)

Stoich.:

A2B2C12D19 (2)

Weight, g/mol:

967.384603

ΔHf, kcal/mol:

-188.08

Dipole, Da:

7.96

IP(EA), eV:

 -8.49(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-methyl-6-[(4-methylphenyl)carbamoyl]-4-[3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenoxy]-5,6,7,8-tetrahydroquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=CN1CCC(=O)OCCCCCCOC(=O)CCN2C=C(N=C2CC)C)C

DOS

IR

Vibrations