Geometry & MOs

Info

ID:	168969
PubChem CID:	75047432
Reduced:	SO10N13C42H65 (1)
Stoich.:	AB10C13D42E65 (1)
Weight, g/mol:	250.073576
ΔH_f, kcal/mol:	-438.32
Dipole, Da:	11.82
IP(EA), eV:	-9.07(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-diaminobutanoylamino)-3-nitrososulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CN=CN2)C(=O)NC(CS)C(=O)O)NC(=O)C3CCCN3C(=O)C(C(C)O)NC(=O)C(C)N

DOS

IR

Vibrations