Geometry & MOs

Info

ID:

150845

PubChem CID:

53790541

Reduced:

NSO3H21C32 (1)

Stoich.:

ABC3D21E32 (1)

Weight, g/mol:

628.264548

ΔHf, kcal/mol:

28.27

Dipole, Da:

4.99

IP(EA), eV:

 -8.71(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(7-amino-4-methyl-2-oxochromen-3-yl)-[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-2-phenylmethoxycarbonylpentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C(=O)O)OC2=CC=C(C=C2)C3=C4C5=CC=CC=C5SC4=C(C6=CC=CC=C63)C#N

DOS

IR

Vibrations