Geometry & MOs

Info

ID:

179562

PubChem CID:

76500351

Reduced:

N3O4C33H49 (1)

Stoich.:

A3B4C33D49 (1)

Weight, g/mol:

805.393179

ΔHf, kcal/mol:

-173.16

Dipole, Da:

3.3

IP(EA), eV:

 -8.66(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[2-amino-3-[[1-cyclohexyl-4-(2-ethoxy-2-oxoethyl)sulfonyl-3-hydroxybutan-2-yl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxopropyl]imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCN(C)C(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCC(CC3)O

DOS

IR

Vibrations