Geometry & MOs

Info

ID:

340066

PubChem CID:

127262075

Reduced:

O8N9C29H37 (1)

Stoich.:

A8B9C29D37 (1)

Weight, g/mol:

674.354031

ΔHf, kcal/mol:

-131.78

Dipole, Da:

8.08

IP(EA), eV:

 -9.14(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-6-amino-1-(N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]anilino)-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations