Geometry & MOs

Info

ID:	49373
PubChem CID:	11532934
Reduced:	NSO7C23H37 (1)
Stoich.:	ABC7D23E37 (1)
Weight, g/mol:	471.149574
ΔH_f, kcal/mol:	-356.41
Dipole, Da:	6.38
IP(EA), eV:	-8.95(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)-2-pyrrolidin-1-ylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1C2CSCCN2C(=O)C(C1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations