Geometry & MOs

Info

ID:

167394

PubChem CID:

74819717

Reduced:

Cl2O7N15C48H49 (1)

Stoich.:

A2B7C15D48E49 (1)

Weight, g/mol:

579.25154

ΔHf, kcal/mol:

-55.5

Dipole, Da:

11.25

IP(EA), eV:

 -8.83(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-thiazol-5-ylmethyl N-[4-[[2-[ethyl(methyl)amino]-1,3-benzoxazole-6-carbonyl]-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl.CN1C(=O)N2C=NC(=C2NN1)C(=O)N.C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N

DOS

IR

Vibrations