Geometry & MOs

Info

ID:

375634

PubChem CID:

134214203

Reduced:

N12O15C62H110 (1)

Stoich.:

A12B15C62D110 (1)

Weight, g/mol:

449.206304

ΔHf, kcal/mol:

-800.21

Dipole, Da:

5.54

IP(EA), eV:

 -8.53(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-methylpyrimidin-4-yl)-1-[2-[(2S)-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)NC(=O)OC(C)(C)C)CCOC1=CC=C(C=C1)CCCCN

DOS

IR

Vibrations