Geometry & MOs

Info

ID:

375631

PubChem CID:

134214198

Reduced:

N12O13C57H102 (1)

Stoich.:

A12B13C57D102 (1)

Weight, g/mol:

403.190734

ΔHf, kcal/mol:

-687.61

Dipole, Da:

10.2

IP(EA), eV:

 -8.42(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2R,4S)-4-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCCCN(CCCNC(=O)[C@@H](CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N)CCOC1=CC=C(C=C1)CCCCN

DOS

IR

Vibrations