Geometry & MOs

Info

ID:

322981

PubChem CID:

126671673

Reduced:

ClS2O7N9C53H60 (1)

Stoich.:

AB2C7D9E53F60 (1)

Weight, g/mol:

366.215472

ΔHf, kcal/mol:

-180.03

Dipole, Da:

5.16

IP(EA), eV:

 -8.77(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(2E,4Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyhexa-2,4-dienylidene]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC(=CC=C4)OCCCCOCC(=O)NC(C(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)C8=CC=C(C=C8)Cl)C

DOS

IR

Vibrations