Geometry & MOs

Info

ID:

94551

PubChem CID:

50002220

Reduced:

BrClO4N5C30H39 (1)

Stoich.:

ABC4D5E30F39 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-181.4

Dipole, Da:

11.53

IP(EA), eV:

 -8.77(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations