Geometry & MOs

Info

ID:	312153
PubChem CID:	126603367
Reduced:	NOSC14H27 (1)
Stoich.:	ABCD14E27 (1)
Weight, g/mol:	257.148789
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	2.48
IP(EA), eV:	-8.91(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-2-amino-5-(diaminomethylideneamino)pent-2-enoyl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=NC(=O)C(C)(C)C)SC(C)(C)C

DOS

IR

Vibrations