Geometry & MOs

Info

ID:

188851

PubChem CID:

77774489

Reduced:

NO9C46H79 (1)

Stoich.:

AB9C46D79 (1)

Weight, g/mol:

663.293799

ΔHf, kcal/mol:

-359.68

Dipole, Da:

5.9

IP(EA), eV:

 -8.53(0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[2-[[4-[4-imino-4-[methyl-[(4-methylphenyl)sulfonylamino]amino]butyl]phenyl]methoxycarbonylamino]-3,3-dimethoxypropanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1CC(C2C(CC(C(O2)(CCN3CCCCC3COC(C(C(CCC(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)OC(=O)C)C)O)C)OC)OC

DOS

IR

Vibrations