Geometry & MOs

Info

ID:	218654
PubChem CID:	85089760
Reduced:	BrON2S2H15C24 (1)
Stoich.:	ABC2D2E15F24 (1)
Weight, g/mol:	491.179832
ΔH_f, kcal/mol:	95.34
Dipole, Da:	1.93
IP(EA), eV:	-8.83(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[(1-carboxy-2-sulfanylethyl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C=C4C(=S)N(C(=O)S4)CC5=CC=C(C=C5)Br

DOS

IR

Vibrations