Geometry & MOs

Info

ID:	229075
PubChem CID:	87566896
Reduced:	P2N3O19C44H67 (1)
Stoich.:	A2B3C19D44E67 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-951.6
Dipole, Da:	4.92
IP(EA), eV:	-9.61(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(butylamino)prop-2-enyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OCC(C)(C)C(=O)OCOP(=O)(C(CCCN)(O)P(=O)(O)O)OCOC(=O)C(C)(C)COC(=O)[C@H]([C@@H](C)CC)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations