Geometry & MOs

Info

ID:

110711

PubChem CID:

50337051

Reduced:

SO4N7C26H37 (1)

Stoich.:

AB4C7D26E37 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-131.7

Dipole, Da:

8.36

IP(EA), eV:

 -8.63(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-chlorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[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)N2CCC(CC2)C(=O)NCC(=O)NC3=NN=C(S3)C)C(=O)NCC(C)C

DOS

IR

Vibrations