Geometry & MOs

Info

ID:	421695
PubChem CID:	135116436
Reduced:	ClF3N6O7C36H44 (1)
Stoich.:	AB3C6D7E36F44 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-384.02
Dipole, Da:	1.77
IP(EA), eV:	-9.09(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations