Geometry & MOs

Info

ID:	436463
PubChem CID:	135203223
Reduced:	O10N11C64H113 (1)
Stoich.:	A10B11C64D113 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-636.72
Dipole, Da:	9.69
IP(EA), eV:	-9.15(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-propyl-1,3-dioxolan-4-yl)methyl]prop-2-enoic acid

Drug info:

Smile

CCCCCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations