Geometry & MOs

Info

ID:

127243

PubChem CID:

50996151

Reduced:

O5N6C41H46 (1)

Stoich.:

A5B6C41D46 (1)

Weight, g/mol:

702.352969

ΔHf, kcal/mol:

-120.26

Dipole, Da:

7.81

IP(EA), eV:

 -8.18(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S,6S,10S)-6-[[3-(dimethylamino)phenyl]carbamoylamino]-14-methyl-9,15-dioxo-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-trien-10-yl]-2-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1CCC[C@@H](C(=O)N2C[C@H](C[C@H]2COC3=CC=CC(=C3)C1=O)NC(=O)NC4=CC(=CC=C4)N(C)C)NC(=O)CC5=CC(=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations