Geometry & MOs

Info

ID:

163342

PubChem CID:

57782173

Reduced:

ON7C18H25 (1)

Stoich.:

AB7C18D25 (1)

Weight, g/mol:

915.306211

ΔHf, kcal/mol:

83.3

Dipole, Da:

5.92

IP(EA), eV:

 -8.25(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl N-[(2S)-1-[(2S)-4-[8-chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2-[[(1R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN1C(=CN=C1OC2=CC=CC(=C2)N3CCN(CC3)C)C(C)N=[N+]=[N-]

DOS

IR

Vibrations