Geometry & MOs

Info

ID:

183069

PubChem CID:

76974523

Reduced:

S2N7O7C41H55 (1)

Stoich.:

A2B7C7D41E55 (1)

Weight, g/mol:

396.172295

ΔHf, kcal/mol:

-224.06

Dipole, Da:

7.29

IP(EA), eV:

 -8.63(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-but-2-enedioic acid;3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5.C(=O)O

DOS

IR

Vibrations