Geometry & MOs

Info

ID:

105316

PubChem CID:

50106902

Reduced:

SO4N7C23H31 (1)

Stoich.:

AB4C7D23E31 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-126.26

Dipole, Da:

13.28

IP(EA), eV:

 -9.06(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations