Geometry & MOs

Info

ID:

117559

PubChem CID:

50607413

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

596.251396

ΔHf, kcal/mol:

-213.92

Dipole, Da:

5.61

IP(EA), eV:

 -9.16(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations