Geometry & MOs

Info

ID:

104535

PubChem CID:

50104519

Reduced:

BrFO4N5C29H37 (1)

Stoich.:

ABC4D5E29F37 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-188.49

Dipole, Da:

4.41

IP(EA), eV:

 -9.25(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations