Geometry & MOs

Info

ID:

127242

PubChem CID:

50996122

Reduced:

OCl2N4C21H28 (1)

Stoich.:

AB2C4D21E28 (1)

Weight, g/mol:

702.352969

ΔHf, kcal/mol:

-30.16

Dipole, Da:

9.04

IP(EA), eV:

 -8.77(-0.57)

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-(3-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3N2C4CCC4)Cl)Cl

DOS

IR

Vibrations