Geometry & MOs

Info

ID:	244363
PubChem CID:	99344286
Reduced:	O2S2N4C23H34 (1)
Stoich.:	A2B2C4D23E34 (1)
Weight, g/mol:	486.207862
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	2.76
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-2-cyclopropyl-2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]ethyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)(C)C)C(=O)NC[C@H](C2CC2)NC(=O)C3=C(N=C(S3)C(C)(C)C)C

DOS

IR

Vibrations