Geometry & MOs

Info

ID:

186608

PubChem CID:

77452981

Reduced:

INOC27H38 (1)

Stoich.:

ABCD27E38 (1)

Weight, g/mol:

802.391479

ΔHf, kcal/mol:

-64.53

Dipole, Da:

3.83

IP(EA), eV:

 -9.3(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[3-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]indolo[1,2-c]quinazolin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)NC(=O)C2(CCCC3(C2CCC4C3=CCC(C4)(C)I)C)C

DOS

IR

Vibrations