Geometry & MOs

Info

ID:

147515

PubChem CID:

53787171

Reduced:

SN4O7C21H24 (2)

Stoich.:

AB4C7D21E24 (2)

Weight, g/mol:

328.127051

ΔHf, kcal/mol:

-505.01

Dipole, Da:

9.21

IP(EA), eV:

 -9.64(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-(2-methylpropylamino)-2-oxoacetyl]-(4-oxobutanoyl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N(C(=O)C(C3=CC=CC=C3)NC(=O)N)C(=O)OC4CCCCC4OC(=O)N([C@H]5[C@@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)O)C(=O)C(C7=CC=CC=C7)NC(=O)N)C(=O)O)C

DOS

IR

Vibrations