Geometry & MOs

Info

ID:

322626

PubChem CID:

126670688

Reduced:

SO3N7C37H39 (1)

Stoich.:

AB3C7D37E39 (1)

Weight, g/mol:

615.299159

ΔHf, kcal/mol:

61.66

Dipole, Da:

3.52

IP(EA), eV:

 -8.57(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-[(2S)-2-[N'-[3-methyl-2-phenylsulfanyl-7-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]hept-1-en-4,6-diyn-3-yl]carbamimidoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC(=C(C=C3)C#CC#CC4=CN=C(N4)[C@@H]5CCCN5)SC6=CC=CC=C6)NC(=O)OC

DOS

IR

Vibrations