Geometry & MOs

Info

ID:

16508

PubChem CID:

471654

Reduced:

O8N11C19H31 (1)

Stoich.:

A8B11C19D31 (1)

Weight, g/mol:

541.235707

ΔHf, kcal/mol:

-320.13

Dipole, Da:

3.78

IP(EA), eV:

 -8.97(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-amino-3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-6-ylidene]methylurea

Drug info:

PubChemData

Smile

C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)N)N

DOS

IR

Vibrations