Geometry & MOs

Info

ID:

91901

PubChem CID:

49979979

Reduced:

N6O7C38H54 (1)

Stoich.:

A6B7C38D54 (1)

Weight, g/mol:

704.389748

ΔHf, kcal/mol:

-297.94

Dipole, Da:

9.92

IP(EA), eV:

 -9.06(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)OC

DOS

IR

Vibrations