Geometry & MOs

Info

ID:	436106
PubChem CID:	135193847
Reduced:	NSO13C32H47 (1)
Stoich.:	ABC13D32E47 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-572.23
Dipole, Da:	3.88
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2E)-2-(1-aminopyridin-2-ylidene)-3-methylpent-3-enamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC2=C(C=C(C=C2)CO)C(=O)NC(C)(C)CCOC(C)(C)CC=C)OC(=O)C)OC(=O)C)OS(=O)C

DOS

IR

Vibrations