Geometry & MOs

Info

ID:	218096
PubChem CID:	85088865
Reduced:	N2O3S3H16C20 (1)
Stoich.:	A2B3C3D16E20 (1)
Weight, g/mol:	429.226371
ΔH_f, kcal/mol:	-21.57
Dipole, Da:	9.63
IP(EA), eV:	-8.79(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(1-anilino-4-methyl-1-oxopentan-2-yl)amino]-4-(furan-2-yl)-1-oxobutan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1COC2=C(N1C(=O)CSC3=CC=CC=C3)C=C(C=C2)C=C4C(=O)NC(=S)S4

DOS

IR

Vibrations