Geometry & MOs

Info

ID:

415090

PubChem CID:

135088076

Reduced:

O2N4C17H20 (1)

Stoich.:

A2B4C17D20 (1)

Weight, g/mol:

615.363199

ΔHf, kcal/mol:

-33.76

Dipole, Da:

4.91

IP(EA), eV:

 -9.55(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(8S,12R,15S,18S,20R)-8-[(4-hydroxyphenyl)methyl]-12-methyl-2,7,10,17-tetraoxo-15-propan-2-yl-1,6,9,16-tetrazabicyclo[16.3.0]henicosan-20-yl]-3-methoxypropanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)C

DOS

IR

Vibrations