Geometry & MOs

Info

ID:	408161
PubChem CID:	135080921
Reduced:	O2N12H54C63 (1)
Stoich.:	A2B12C54D63 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	429.94
Dipole, Da:	8.32
IP(EA), eV:	-7.9(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(3R)-5-oxooxolan-3-yl]pyrrole-1-carboxylate

Drug info:

Smile

CC(C)(C)C1=CC2=C(C=C1)C3=NC2=NC4=NC(=NC5=NC(=NC6=NC(=N3)C7=C6C=CC(=C7)/C=C/C8=CC=C(C=C8)N9C1=CC=CC=C1NC1=C9NC(=O)N(C1=O)C)C1=C5C=CC(=C1)C(C)(C)C)C1=C4C=CC(=C1)C(C)(C)C

DOS

IR

Vibrations