Geometry & MOs

Info

ID:	423824
PubChem CID:	135120374
Reduced:	N4O7C27H30 (1)
Stoich.:	A4B7C27D30 (1)
Weight, g/mol:	390.170333
ΔH_f, kcal/mol:	-227.85
Dipole, Da:	4.39
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)CN5CCCC5=O

DOS

IR

Vibrations