Geometry & MOs

Info

ID:

96779

PubChem CID:

50024453

Reduced:

N3O3C18H26 (2)

Stoich.:

A3B3C18D26 (2)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-263.99

Dipole, Da:

7.95

IP(EA), eV:

 -8.18(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(2-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations