Geometry & MOs

Info

ID:

298016

PubChem CID:

117646855

Reduced:

ClS2N16O20C62H71 (1)

Stoich.:

AB2C16D20E62F71 (1)

Weight, g/mol:

379.200825

ΔHf, kcal/mol:

-714.61

Dipole, Da:

12.13

IP(EA), eV:

 -9.01(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCCCSSCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC=O)NC(=O)CCC(C(=O)O)NC(=O)C4=CC=C(C=C4)NCC5=CN=C6C(=N5)C(=O)NC(=N6)N

DOS

IR

Vibrations