Geometry & MOs

Info

ID:	315740
PubChem CID:	126628640
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	480.15424
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	3.42
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dichloro-2-hydroxyethyl) 1-[2-[[2-(but-3-enoylamino)-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C(=O)N(C(=N3)N(C)CCO)C)C(C2)(C)C

DOS

IR

Vibrations