Geometry & MOs

Info

ID:	306627
PubChem CID:	125092855
Reduced:	SN3O5C27H39 (1)
Stoich.:	AB3C5D27E39 (1)
Weight, g/mol:	579.276693
ΔH_f, kcal/mol:	-200.56
Dipole, Da:	4.66
IP(EA), eV:	-8.54(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-[(2S)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC)N(CC1=CC=C(C=C1)OC)C(=O)CN(C2=CC=CC(=C2C)C)S(=O)(=O)C

DOS

IR

Vibrations