Geometry & MOs

Info

ID:

107941

PubChem CID:

50224732

Reduced:

FO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-270.14

Dipole, Da:

11.86

IP(EA), eV:

 -8.73(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(CC)CC)C

DOS

IR

Vibrations