Geometry & MOs

Info

ID:

180260

PubChem CID:

76604764

Reduced:

FNO7C22H30 (2)

Stoich.:

ABC7D22E30 (2)

Weight, g/mol:

713.309449

ΔHf, kcal/mol:

-677.8

Dipole, Da:

11.17

IP(EA), eV:

 -9.39(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-(cyclopropyloxysulfonylcarbamoyl)-18-isoquinolin-1-yloxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-14-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C3C(C4(CCC5C(C4C(C(C2(C)C)(CC1OC(=O)C(C)(C(C(F)F)NC(=O)OC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO5)OC(=O)C)C)OC(O3)CN7CCC7CO

DOS

IR

Vibrations