Geometry & MOs

Info

ID:

434956

PubChem CID:

135176054

Reduced:

BrNSO2C23H24 (1)

Stoich.:

ABCD2E23F24 (1)

Weight, g/mol:

646.282302

ΔHf, kcal/mol:

8.66

Dipole, Da:

5.98

IP(EA), eV:

 -8.66(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[8-[3-[3-[7-chloro-5-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-yl]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1S(=O)(=O)C2=CC=C(C=C2)Br)NC(=C)/C(=C(\C)/C=C\C=C)/C

DOS

IR

Vibrations