Geometry & MOs

Info

ID:	315938
PubChem CID:	126629467
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	341.206304
ΔH_f, kcal/mol:	-143.98
Dipole, Da:	2.98
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(C)C)C(=O)C2CCC(CC2)O

DOS

IR

Vibrations