Geometry & MOs

Info

ID:	390971
PubChem CID:	135001930
Reduced:	SN4O9C38H42 (1)
Stoich.:	AB4C9D38E42 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-265.74
Dipole, Da:	2.65
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (Z)-4-hydroxypent-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1C2N(C1=O)C(=C(CS2=O)/C=C/3\CCN(C3=O)[C@@H]4CCN(C4)C(=O)OCC=C)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations