Geometry & MOs

Info

ID:

223009

PubChem CID:

85333874

Reduced:

N11O13C38H67 (1)

Stoich.:

A11B13C38D67 (1)

Weight, g/mol:

886.420084

ΔHf, kcal/mol:

-603.65

Dipole, Da:

12.05

IP(EA), eV:

 -9.56(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-4-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]-N-[1-(6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)propyl]-8-(tritylcarbamoylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)N

DOS

IR

Vibrations