Geometry & MOs

Info

ID:

127369

PubChem CID:

51000420

Reduced:

ON6C19H26 (1)

Stoich.:

AB6C19D26 (1)

Weight, g/mol:

669.240324

ΔHf, kcal/mol:

24.49

Dipole, Da:

3.27

IP(EA), eV:

 -8.28(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[3-[[5-[3-[(4-aminopiperidin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-7-yl]sulfonylamino]thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](CO)NC1=NC2=C(NN=C2C(=N1)NCC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations