Geometry & MOs

Info

ID:	418877
PubChem CID:	135107020
Reduced:	SN4O7C32H38 (1)
Stoich.:	AB4C7D32E38 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-185.09
Dipole, Da:	10.55
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-[[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2C[C@@H]3C[C@H]2C(=O)NCCCCN(CCCNC(=O)C4=CC(=C(C=C4)OC)O3)C(=O)C5=CC=CS5

DOS

IR

Vibrations