Geometry & MOs

Info

ID:	322682
PubChem CID:	126670805
Reduced:	FIO2N3C25H29 (1)
Stoich.:	ABC2D3E25F29 (1)
Weight, g/mol:	601.15499
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	6.44
IP(EA), eV:	-8.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[5-[4-iodo-3-(N-methylanilino)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CN=C(N3)[C@@H]4CCCN4C(O)OC(C)(C)C)F)I

DOS

IR

Vibrations