Geometry & MOs

Info

ID:

188638

PubChem CID:

77746716

Reduced:

N7O10C26H51 (1)

Stoich.:

A7B10C26D51 (1)

Weight, g/mol:

685.272333

ΔHf, kcal/mol:

-464.6

Dipole, Da:

2.96

IP(EA), eV:

 -9.15(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-carbamoyl-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3-[methyl-[2-(trifluoromethyl)prop-2-enoyl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)NCCCN)N)NC(=O)C(C(CN)O)O)O

DOS

IR

Vibrations