Geometry & MOs

Info

ID:	46606
PubChem CID:	10525529
Reduced:	N2O5C22H36 (1)
Stoich.:	A2B5C22D36 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-267.93
Dipole, Da:	6.28
IP(EA), eV:	-10.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,4S,5S)-5-benzyl-2-tert-butyl-6-methoxy-4-methyl-4,5-dihydro-2H-pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@@H](CC(=O)NC(=O)/C=C/1\[C@H]2CCCN2C(=O)O1)O

DOS

IR

Vibrations