Geometry & MOs

Info

ID:	187806
PubChem CID:	77627470
Reduced:	FCl2S2N3O3C23H28 (1)
Stoich.:	AB2C2D3E3F23G28 (1)
Weight, g/mol:	517.294057
ΔH_f, kcal/mol:	-149.51
Dipole, Da:	3.98
IP(EA), eV:	-8.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(4-methoxyanilino)-3-phenylmethoxypropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(=O)NCCN2CCC3=C2C=CC(=C3)F)N(C4=CC(=C(S4)Cl)Cl)S(=O)O

DOS

IR

Vibrations