Geometry & MOs

Info

ID:	218538
PubChem CID:	85089589
Reduced:	SN2O6H22C25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	478.253983
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	1.23
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]pentanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)COC3=CC=CC=C3)C=CC(=O)C4=CC=CC=C4

DOS

IR

Vibrations