Geometry & MOs

Info

ID:

422624

PubChem CID:

135118157

Reduced:

ON2C20H32 (1)

Stoich.:

AB2C20D32 (1)

Weight, g/mol:

666.374098

ΔHf, kcal/mol:

-56.91

Dipole, Da:

2.32

IP(EA), eV:

 -8.66(0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-2-(dimethylamino)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations