Geometry & MOs

Info

ID:	150264
PubChem CID:	53789952
Reduced:	N7O9C34H43 (1)
Stoich.:	A7B9C34D43 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-331.76
Dipole, Da:	10.46
IP(EA), eV:	-9.33(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(4-methylphenyl)methyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)C(=O)N(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)N)C(=O)OC(C)(C)C

DOS

IR

Vibrations