Geometry & MOs

Info

ID:	422253
PubChem CID:	135117512
Reduced:	ClOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	374.147786
ΔH_f, kcal/mol:	1.63
Dipole, Da:	4.24
IP(EA), eV:	-8.41(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-5-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]benzoate

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC=C(C=C3)Cl)C4=C1SC=C4

DOS

IR

Vibrations