Geometry & MOs

Info

ID:

187063

PubChem CID:

77527453

Reduced:

SN6O6C32H36 (1)

Stoich.:

AB6C6D32E36 (1)

Weight, g/mol:

755.177639

ΔHf, kcal/mol:

-104.88

Dipole, Da:

10.22

IP(EA), eV:

 -8.51(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[7-chloro-3-[[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamoyl]isoquinolin-1-yl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N(N1CCN(CC1)C2=CC=C(C=C2)C#CC3=CC(=NC=C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC)S(=O)O

DOS

IR

Vibrations