Geometry & MOs

Info

ID:

113487

PubChem CID:

50447748

Reduced:

BrO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-170.19

Dipole, Da:

7.16

IP(EA), eV:

 -8.99(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC(C)C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations